element(s):
['Al', 'Sm']
AFLOW prototype label:
A4B_tI10_139_de_a
Parameter names:
['a', 'c/a', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.288', '2.6274254', '0.61296745']
model name:
EAM_Dynamo_MendelevFangYe_2015_AlSm__MO_338600200739_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Sm']
representative atom coordinates =  [[0.         0.5        0.25      ]
 [0.         0.         0.61296745]
 [0.         0.         0.        ]]
spacegroup =  139
cell =  [[4.288, 0, 0], [0, 4.288, 0], [0, 0, 11.2664]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:14:35      -43.100838        0.3263
BFGS:    1 18:14:35      -43.105507        0.3106
BFGS:    2 18:14:35      -43.132118        0.1345
BFGS:    3 18:14:35      -43.134051        0.1292
BFGS:    4 18:14:35      -43.136557        0.0913
BFGS:    5 18:14:35      -43.137793        0.0721
BFGS:    6 18:14:35      -43.138064        0.0567
BFGS:    7 18:14:35      -43.138142        0.0482
BFGS:    8 18:14:35      -43.138285        0.0367
BFGS:    9 18:14:35      -43.138615        0.0351
BFGS:   10 18:14:35      -43.139235        0.0435
BFGS:   11 18:14:35      -43.140017        0.0379
BFGS:   12 18:14:35      -43.140487        0.0186
BFGS:   13 18:14:35      -43.140592        0.0055
BFGS:   14 18:14:35      -43.140600        0.0005
BFGS:   15 18:14:35      -43.140600        0.0000
BFGS:   16 18:14:35      -43.140600        0.0000
BFGS:   17 18:14:35      -43.140600        0.0000
BFGS:   18 18:14:35      -43.140600        0.0000
Minimization converged after 18 steps.
Maximum force component: 3.33887845082896e-09 eV/Angstrom
Maximum stress component: 8.281402660898838e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Sm', 'Sm']
basis =  [[0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 1.02253498e-34 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 8.18027987e-34 7.50000000e-01]
 [0.00000000e+00 6.36243990e-34 6.11479465e-01]
 [9.51369105e-38 6.81689989e-35 3.88520535e-01]
 [5.00000000e-01 5.00000000e-01 1.11479465e-01]
 [5.00000000e-01 5.00000000e-01 8.88520535e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[4.2378426584206546, 6.6225444142259585e-37, 1.7510376205284525e-32], [6.132770926233131e-37, 4.237842658420654, -6.330220277170838e-19], [1.4858248398779465e-36, -1.2229172357018153e-18, 11.291701970909786]])
forces =  [[ 5.47063896e-68 -1.63235762e-33  4.17542917e-31]
 [-4.76753188e-68 -1.30588609e-32 -3.47952431e-31]
 [ 3.43391346e-68 -2.82630351e-50  2.60964323e-31]
 [-5.90487152e-68  3.26471523e-33 -4.52338161e-31]
 [-4.39348165e-46  3.61606566e-28 -3.33887845e-09]
 [ 4.39348165e-46 -3.61606566e-28  3.33887845e-09]
 [-4.39348165e-46  3.61601669e-28 -3.33887845e-09]
 [ 4.39348165e-46 -3.61614728e-28  3.33887845e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-8.28140266e-11 -8.28140266e-11 -1.19834144e-11 -1.50478728e-26
 -2.57582423e-34 -1.99995270e-49]
energy per atom =  -4.314060021520608
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0